Quantum Information Patterns Between Atoms in a Molecule.

Quantum information theory provides a powerful toolbox of descriptors that characterize many-electron systems based on quantum information patterns between open quantum systems. Despite the wealth of insights gained in the condensed matter community, the use of these descriptors to study interactions between atoms in a molecule remains limited. In this study, we develop a quantum information framework for molecules that characterizes the quantum information patterns between quantum atoms as defined in the Quantum Theory of Atoms in Molecules.